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Asandeutertinib

CAT: 0804-HY-15772S3-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15772S3-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Asandeutertinib (Osimertinib-d3; AZD-9291-d3) is a epidermal growth factor receptor (EGFR) tyrosine kinase inhibitor, with antineoplastic effect[1].
CAS Number
1638281-46-5
Product Name Alternative
Asandeutertinibum; Osimertinib-d3; AZD-9291-d3
UNSPSC
12352005
Target
EGFR
Type
Isotope-Labeled Compounds
Related Pathways
JAK/STAT Signaling; Protein Tyrosine Kinase/RTK
Field of Research
Cancer
Purity
99.75
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
COC(C=C(C(NC(C=C)=O)=C1)N(C)CCN(C)C)=C1NC2=NC=CC(C(C3=CC=CC=C34)=CN4C([2H])([2H])[2H])=N2
Molecular Formula
C28H30D3N7O2
Molecular Weight
502.63
References & Citations
[1]Asandeutertinib (asandeutertinibum; Osimertinib-d3; AZD-9291-d3) . WHO Drug Information, Vol. 37, No. 4, 2023.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Asandeutertinib
CAS Number1638281-46-5
PubChem CID87056175
IUPAC NameN-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(trideuteriomethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
Molecular FormulaC28H33N7O2
Molecular Weight502.6
XLogP3.7
Topological Polar Surface Area87.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity752
SMILES
[2H]C([2H])([2H])N1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC
InChI
InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)/i5D3
InChIKey
DUYJMQONPNNFPI-VPYROQPTSA-N
Chemical Structure
2D Structure
2D structure of Asandeutertinib
CAS: 1638281-46-5
CID: 87056175
Formula: C28H33N7O2
MW: 502.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight502.6
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass502.28840356
Monoisotopic Mass502.28840356
Topological Polar Surface Area87.6 Ų
Heavy Atom Count37
Formal Charge0
Complexity752
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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